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    282 repositories

    • eos78ao

      Public
      Mordred physicochemical descriptors
      Python
      •
      GNU General Public License v3.0
      •4•2•2•0•Updated Jan 23, 2025Jan 23, 2025

    • ersilia

      Public
      The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.
      open-sourcemachine-learningdrug-discoveryneglected-tropical-diseaseglobal-southmodel-hub
      Python
      •
      GNU General Public License v3.0
      •151•233•45•3•Updated Jan 23, 2025Jan 23, 2025

    • coadd-binary-tasks

      Public
      Binary tasks from the Co-ADD antimicrobial drug discovery resource
      Python
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Jan 22, 2025Jan 22, 2025

    • ersilia-maintenance

      Public
      This repository contains maintenance workflows for the Ersilia Model Hub
      Python
      •
      GNU General Public License v3.0
      •2•0•11•1•Updated Jan 22, 2025Jan 22, 2025

    • abaumannii-enamine-real-screening

      Public
      Screening the Enamine REAL database against a series of Acinetobacter baumannii activity prediction models
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jan 21, 2025Jan 21, 2025

    • chembl-binary-tasks

      Public
      A repository to generate bioassay datasets from ChEMBL ready for downstream AI/ML modelling
      Python
      •
      GNU General Public License v3.0
      •1•2•2•0•Updated Jan 21, 2025Jan 21, 2025

    • zairachem-docker

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•4•0•Updated Jan 21, 2025Jan 21, 2025

    • ersilia-stats

      Public
      Collection of statistics from the Ersilia open source software tools
      Python
      •
      GNU General Public License v3.0
      •0•2•1•0•Updated Jan 20, 2025Jan 20, 2025

    • ersilia-self-service

      Public
      Run Ersilia Model Hub models on GitHub Actions
      Python
      •
      GNU General Public License v3.0
      •1•2•69•0•Updated Jan 16, 2025Jan 16, 2025

    • eos5guo

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•0•1•Updated Jan 15, 2025Jan 15, 2025

    • mtb-targeted-protein-degradation

      Public
      Targeted protein degradation in Mycobacterium Tuberculosis
      HTML
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Jan 13, 2025Jan 13, 2025

    • aws-utils

      Public
      Utility scripts to interact with AWS
      HCL
      •
      GNU General Public License v3.0
      •0•0•6•0•Updated Jan 13, 2025Jan 13, 2025

    • eos-template

      Public template
      Template repository to add new models to the Ersilia Model Hub
      template
      Python
      •
      GNU General Public License v3.0
      •5•2•5•3•Updated Jan 10, 2025Jan 10, 2025

    • eos7w6n

      Public
      Grover embedding for molecular representation
      Python
      •
      GNU General Public License v3.0
      •3•4•0•1•Updated Jan 8, 2025Jan 8, 2025

    • eos4u6p

      Public
      Chemical Checker 25 bioactivity signatures
      Python
      •
      GNU General Public License v3.0
      •3•1•1•1•Updated Jan 8, 2025Jan 8, 2025

    • eos5axz

      Public
      Morgan count fingerprints with radius 3
      Python
      •
      GNU General Public License v3.0
      •4•1•0•1•Updated Jan 8, 2025Jan 8, 2025

    • eos7jio

      Public
      RDKIT path-based fingerprints
      Python
      •
      GNU General Public License v3.0
      •3•1•0•1•Updated Jan 8, 2025Jan 8, 2025

    • eos59rr

      Public
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •1•0•0•1•Updated Jan 5, 2025Jan 5, 2025

    • eos1noy

      Public
      Python
      •
      GNU General Public License v3.0
      •2•0•0•1•Updated Jan 5, 2025Jan 5, 2025

    • eos2zmb

      Public
      Python
      •
      GNU General Public License v3.0
      •2•0•2•1•Updated Jan 5, 2025Jan 5, 2025

    • eos4f95

      Public
      Python
      •
      GNU General Public License v3.0
      •2•0•1•1•Updated Jan 5, 2025Jan 5, 2025

    • eos9ueu

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•0•0•Updated Jan 5, 2025Jan 5, 2025

    • eos1d7r

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•0•1•Updated Jan 5, 2025Jan 5, 2025

    • eos3kcw

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•0•1•Updated Jan 5, 2025Jan 5, 2025

    • eos633t

      Public
      Python
      •
      GNU General Public License v3.0
      •2•0•3•1•Updated Jan 5, 2025Jan 5, 2025

    • eos9zw0

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•1•1•Updated Jan 5, 2025Jan 5, 2025

    • eos9ivc

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•2•1•Updated Jan 5, 2025Jan 5, 2025

    • eos1ut3

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•1•0•Updated Jan 5, 2025Jan 5, 2025

    • eos4x30

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•2•1•Updated Jan 5, 2025Jan 5, 2025

    • pharmacogx-embeddings

      Public
      Pharmacogenomics knowledge graph embeddings and related analyses
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•3•5•0•Updated Jan 5, 2025Jan 5, 2025